SCHEMBL5213718

SCHEMBL5213718

O=[N+]([O-])c1ccc2nc(C(F)F)[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
POLB P06746 3/20 0.74
USP2 O75604 1/20 0.74
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 9/20 0.58
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
HTT P42858 4/20 0.58
CASP3 P42574 2/20 0.58
SENP8 Q96LD8 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.57
LMNA P02545 3/20 0.57

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
SCHEMBL5213709 0.88 POLB (0.57) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL271677 0.85 MEN1 (0.74) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL10752988 0.82 MEN1 (0.70) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL7035627 0.80 MEN1 (0.67) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL28291113 0.79 MEN1 (0.65) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL27991181 0.79 ALDH1A1 (0.71) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL1171437 0.79 NPC1 (0.82) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL18757895 0.78 TXN (0.70) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL4328218 0.78 ALDH1A1 (0.69) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL1541190 0.76 ALDH1A1 (0.67) MEN1KMT2APOLBUSP2ALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154976-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2019-07-24 EP disclosed
EP-3154976-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2019-07-24 EP disclosed
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2018-10-16 US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 US disclosed
WO-2015188369-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2015-12-17 WO disclosed
WO-2015188369-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2015-12-17 WO disclosed
US-7307077-B2 Heterocyclic compound and antitumor agent containing the same as effective ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-12-11 US disclosed
CN-101016276-A 5-nitro-2-difluoromethylbenzimidazole and synthesis method thereof UNIV SHANGHAI (CN) 2007-08-15 CN disclosed
CN-1310907-C Heterocyclic compound and antitumour agent containing the same as active ingredient ZENYAKU KOGYO KK (JP) 2007-04-18 CN disclosed
EP-1389617-B1 HETEROCYCLIC COMPOUND AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2007-01-03 EP disclosed
US-20060247232-A1 Heterocyclic compound and antitumor agent containing the same as effective ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-11-02 US disclosed
US-7071189-B2 Heterocyclic compound and antitumor agent containing the same as active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-07-04 US disclosed
CN-1538967-A Heterocyclic compound and antitumour agent containing the same as active ingredient ������ҩ��ҵ��ʽ���� 2004-10-20 CN disclosed
US-20040116421-A1 Heterocyclic compound and antitumor agent containing the same as active ingredient OHARA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 US disclosed
EP-1389617-A1 HETEROCYCLIC COMPOUND AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2004-02-18 EP 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 (3 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-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA MEN1 3447/4885KMT2A 4491/4885POLB 277/4885
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA MEN1 3447/4885KMT2A 4491/4885POLB 277/4885
US-20060247232-A1 Heterocyclic compound and antitumor agent containing the same as effective ingredient CBR3, HCCS, CBR1 MEN1 1642/4885KMT2A 3803/4885POLB 4594/4885

“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.