SCHEMBL1104755

SCHEMBL1104755

c1cnc2c(c1)nc1n2CCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
BCHE P06276 1/20 0.51
CFTR P13569 1/20 0.51
ALOX15 P16050 1/20 0.51
ACHE P22303 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
GOPC Q9HD26 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TGFBR1 P36897 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PI4KA P42356 1/20 0.40

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
SCHEMBL1104761 0.95 MEN1 (0.51) KDM4EALDH1A1HSD17B10TDP1USP2
SCHEMBL1104771 0.93 MEN1 (0.54) KDM4EALDH1A1HSD17B10TDP1USP2
SCHEMBL1104773 0.89 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10TDP1USP2
SCHEMBL24640290 0.76 HTR3A (0.46) KDM4EMEN1KMT2A
SCHEMBL1104757 0.76 POLB (0.40) KDM4EALDH1A1USP2ALOX15SMN1; SMN2
SCHEMBL1104770 0.76 HTR2C (0.46) KDM4EALDH1A1
SCHEMBL1104767 0.73 KDM4E (0.56) KDM4EALDH1A1HSD17B10TGFBR1MEN1
SCHEMBL503163 0.73 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10TDP1USP2
SCHEMBL11633091 0.72 KMT2A (0.46) KDM4EALDH1A1HSD17B10TDP1USP2
SCHEMBL21948608 0.72 KDM4E (0.44) KDM4EALDH1A1HSD17B10TDP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227103-B Trisubstituted heteroaryl derivatives as SRC homo-2 phosphatase inhibitors 尼坎治疗公司 2024-10-01 CN disclosed
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-06-22 US disclosed
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-06-22 US disclosed
US-8420817-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-04-16 US disclosed
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-28 US disclosed
US-8153796-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-08 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 (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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 KDM4E 2247/4885ALDH1A1 1200/4885HSD17B10 2336/4885
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 KDM4E 1101/4885ALDH1A1 3594/4885HSD17B10 4071/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 KDM4E 2247/4885ALDH1A1 1200/4885HSD17B10 2336/4885

“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.