SCHEMBL3198599

SCHEMBL3198599

N#Cc1cc(Nc2ccnc(Cl)n2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.49
GRM4 Q14833 1/20 0.47
IDO1 P14902 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
ROCK1 Q13464 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3298034 0.83 HTR3E (0.47) GRM4HTR3EHTR3BHTR3AROCK1
SCHEMBL3188093 0.81 APP (0.50) GRM4HTR3EHTR3BHTR3AROCK1
SCHEMBL30213675 0.81 APP (0.50) GRM4HTR3EHTR3BHTR3AROCK1
SCHEMBL656422 0.81 ABCG2 (0.51) ABCG2GRM4IDO1HTR3EHTR3B
SCHEMBL3300171 0.79 HTR3E (0.43) GRM4HTR3EHTR3BHTR3AROCK1
SCHEMBL4006335 0.78 SYK (0.49) ABCG2GRM4EGFRERBB2AURKA
SCHEMBL30542657 0.77 ABCG2 (0.61) ABCG2MEN1KMT2ACYP2C19CYP3A4
SCHEMBL29056234 0.77 ABCG2 (0.61) ABCG2MEN1KMT2ACYP2C19CYP3A4
SCHEMBL24213451 0.76 LMNA (0.42) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL26186327 0.76 GRM4 (0.47) ABCG2GRM4IDO1EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use TOLERO PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use TOLERO PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use TOLERO PHARMACEUTICALS, INC. 2010-02-04 US disclosed
WO-2010011349-A2 PYRIMIDINE-2,4-DIAMINE JAK2 KINASE INHIBITING ANTI-INFLAMMATION USE SUPERGEN, INC. (US) 2010-01-28 WO disclosed
WO-2010011349-A2 PYRIMIDINE-2,4-DIAMINE JAK2 KINASE INHIBITING ANTI-INFLAMMATION USE SUPERGEN, INC. (US) 2010-01-28 WO disclosed
EP-2121634-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SuperGen, Inc. (US) 2009-11-25 EP disclosed
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 US disclosed
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 US disclosed
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 US disclosed
WO-2008106635-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 WO disclosed
WO-2008106635-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 WO 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 (2 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-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use JAK2, JAK1, IRAK4 ABCG2 2987/4885GRM4 2571/4885IDO1 1293/4885
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS JAK2, JAK1, JAK3 ABCG2 1943/4885GRM4 2466/4885IDO1 1074/4885

“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.