SCHEMBL3675668

SCHEMBL3675668

Oc1nc2nc(Cl)ccc2n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
TNF P01375 1/20 0.40
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDE6D O43924 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
GPR35 Q9HC97 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 1/20 0.38
CCR2 P41597 1/20 0.38
KDM4A O75164 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL16818827 0.81 TNF (0.58) TNFALDH1A1MEN1KMT2APDE6D
SCHEMBL3669844 0.81 ALDH1A1 (0.53) SRCALDH1A1KMT2ASMN1; SMN2CYP2C9
SCHEMBL3675746 0.78 KDM4E (0.38) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL152719 0.73 TNF (0.65) TNFALDH1A1LMNAMEN1KMT2A
SCHEMBL978389 0.72 ADORA2A (0.43) SRCALDH1A1LMNAMEN1KMT2A
SCHEMBL977190 0.70 POLB (0.46) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3667046 0.69 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2PTGER4
SCHEMBL21388201 0.69 MAPK1 (0.38) SRCALDH1A1LMNAMEN1KMT2A
SCHEMBL9682976 0.69 NOD1 (0.40) TNFALDH1A1LMNAMEN1KMT2A
SCHEMBL16818436 0.69 BRD4 (0.50) TNFALDH1A1LMNAMEN1KMT2A

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
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP disclosed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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 (1 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 SRC 2518/4885TNF 752/4885CYP19A1 4211/4885

“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.