SCHEMBL1184403

SCHEMBL1184403

COc1ccc(NC(=N)N)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MAPT P10636 4/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
IMPDH2 P12268 1/20 0.53
IMPDH1 P20839 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
HDAC1 Q13547 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Nitric Acid SCHEMBL1185356 0.89 ALOX5 (0.56) KMT2AMAPTKDM4ECYP1A2CYP2C19
Nitric Acid SCHEMBL6034752 0.89 ALOX5 (0.56) KMT2AMAPTKDM4ECYP1A2CYP2C19
SCHEMBL1184803 0.87 KMT2A (0.50) KMT2AMAPTKDM4ECYP1A2CYP2C19
SCHEMBL4158690 0.87 KMT2A (0.47) KMT2AMAPTKDM4ECYP1A2CYP2C19
SCHEMBL17560320 0.86 GRM4 (0.51) KMT2AMAPTKDM4ECYP1A2CYP2C19
SCHEMBL10310245 0.86 CYP1A2 (0.46) KMT2AMAPTKDM4ECYP1A2CYP2C19
SCHEMBL4100669 0.86 KMT2A (0.51) KMT2AMAPTKDM4ECYP1A2CYP2C19
SCHEMBL11137030 0.83 ALDH1A1 (0.57) KMT2AMAPTKDM4EMEN1SMN1; SMN2
SCHEMBL7166437 0.83 KMT2A (0.60) KMT2AMAPTKDM4ECYP1A2CYP2C19
SCHEMBL10789734 0.83 KMT2A (0.56) KMT2AMAPTKDM4ECYP1A2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083906-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARM INC (US) 2024-03-14 US disclosed
US-20220041605-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2022-02-10 US disclosed
US-11014928-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2021-05-25 US disclosed
US-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2020-08-06 US disclosed
US-10414770-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 US disclosed
CN-104193750-B Suppress mitotic Compounds and methods for by suppressing aurora kinase 千禧药品公司 2018-04-27 CN disclosed
US-9765078-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
EP-2719698-B1 Methods for preparing aurora kinase inhibitors MILLENNIUM PHARM INC (US) 2016-10-05 EP disclosed
EP-2746285-B1 Process for the preparation of aurora kinase inhibitors MILLENNIUM PHARM INC (US) 2016-09-14 EP disclosed
EP-1905773-A2 Compounds and methods for inhibiting mitotic progression by inhibition of aurora kinase MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-02 EP disclosed
EP-1771450-B1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE MILLENNIUM PHARM INC (US) 2007-12-19 EP disclosed
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
CN-101014603-A Compounds and methods for inhibiting mitosis by inhibiting aurora kinase MILLENNIUM PHARM INC (US) 2007-08-08 CN disclosed
EP-1799684-A2 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-27 EP disclosed
EP-1771450-A2 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-04-11 EP disclosed
US-20060100194-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2006-05-11 US disclosed
WO-2006041773-A2 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed
WO-2005111039-A2 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-24 WO disclosed
US-20050256102-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060100194-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 KMT2A 2007/4885MAPT 2225/4885KDM4E 1371/4885
US-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB KMT2A 628/4885MAPT 676/4885KDM4E 774/4885
US-20050256102-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB KMT2A 628/4885MAPT 676/4885KDM4E 774/4885
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB KMT2A 628/4885MAPT 676/4885KDM4E 774/4885
US-10414770-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB KMT2A 628/4885MAPT 676/4885KDM4E 774/4885
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB KMT2A 628/4885MAPT 676/4885KDM4E 774/4885
US-11014928-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB KMT2A 628/4885MAPT 676/4885KDM4E 774/4885
US-20220041605-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB KMT2A 628/4885MAPT 676/4885KDM4E 774/4885
US-20240083906-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB KMT2A 628/4885MAPT 676/4885KDM4E 774/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.