SCHEMBL3457136

SCHEMBL3457136

Cc1cc2nc(-c3[nH]nc4c3CCN(C(=O)c3ccccc3)C4)[nH]c2cc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 5/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
CBFB Q13951 1/20 0.40
CDK4 P11802 6/20 0.40
CCND1 P24385 6/20 0.40
HPSE Q9Y251 1/20 0.40
GRM5 P41594 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KDR P35968 1/20 0.37

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
SCHEMBL3455647 0.91 SMN1; SMN2 (0.43) CDK4CCND1HPSE
SCHEMBL3455611 0.90 GRM5 (0.43) CDK4CCND1GRM5
SCHEMBL3455916 0.90 KDR (0.46) KDR
SCHEMBL5067913 0.90 KDR (0.46) KDR
SCHEMBL3457113 0.88 PIK3CA (0.38) MTHFD2CDK4CCND1HPSENPC1
SCHEMBL3456012 0.87 P2RX7 (0.44)
SCHEMBL14031876 0.86 HPSE (0.47) HPSENPC1RAB9ATRPV1KDR
SCHEMBL3456885 0.86 NPC1 (0.40) HPSENPC1RAB9AATMERAP1
SCHEMBL14031952 0.86 HPSE (0.41) HPSENPC1RAB9AATMERAP1
SCHEMBL3456798 0.85 ALDH1A1 (0.51) GRM5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
EP-2246344-A1 Pyrimidine compounds and medicinal composition thereof Eisai R&D Management Co., Ltd. (JP) 2010-11-03 EP disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1439175-A1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-07-21 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 (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-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF CBR3, AHR, HCCS MTHFD2 864/4885METAP2 4267/4885METAP1 4186/4885
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof ADORA2B, ADORA2A, ADORA3 MTHFD2 2095/4885METAP2 2509/4885METAP1 3195/4885

“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.