SCHEMBL13611642

SCHEMBL13611642

C1=CN=C(N2CCNCC2)NC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.46
PLD1 Q13393 2/20 0.46
NCF1 P14598 2/20 0.46
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP1 P29466 1/20 0.34
CASP4 P49662 1/20 0.34

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
SCHEMBL15647482 0.79 LMNA (0.34) ALDH1A1KDM4ELMNA
SCHEMBL1904288 0.72
SCHEMBL726036 0.69 ADRB2 (0.41) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL4421143 0.68 ADRB2 (0.40) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL26599287 0.65 CHRNB2 (0.35) ALDH1A1KDM4EHRH1USP2SMN1; SMN2
SCHEMBL11892889 0.65 HRH1 (0.39) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL27511861 0.63 ADRB2 (0.36) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL17067817 0.63 KDM4E (0.42) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL74335 0.63 ADRB2 (1.00) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL894239 0.63 ADRB2 (1.00) ADRB2PLD1NCF1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912948-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-09-09 EP disclosed
US-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-31 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-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS TST, SRMS, STS ADRB2 667/4885PLD1 4096/4885NCF1 3485/4885

“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.