SCHEMBL5007641

SCHEMBL5007641

Cc1nc(N)c2cnn(-c3ccc(F)cc3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HTT P42858 3/20 0.52
XDH P47989 3/20 0.50
CYP1A2 P05177 4/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 4/20 0.47
CREBBP Q92793 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP17A1 P05093 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP11B1 P15538 1/20 0.47
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL13790444 0.85 CYP17A1 (0.49) TSHRSMN1; SMN2HTTXDHCYP1A2
SCHEMBL5011669 0.85 KDM4E (0.59) TSHRSMN1; SMN2HTTCYP1A2CYP2C19
SCHEMBL5007638 0.85 XDH (0.47) TSHRSMN1; SMN2HTTXDHCYP1A2
SCHEMBL5007676 0.84 XDH (0.48) TSHRSMN1; SMN2HTTXDHCYP1A2
SCHEMBL5007643 0.82 XDH (0.64) TSHRHTTXDHCYP1A2CYP2C19
SCHEMBL5009703 0.82 NPC1 (0.48) TSHRSMN1; SMN2HTTXDHCYP1A2
SCHEMBL5009869 0.81 CYP17A1 (0.51) TSHRSMN1; SMN2CYP1A2POLBCYP2D6
SCHEMBL5009708 0.77 GRM1 (0.51) TSHRSMN1; SMN2HTTXDHCYP1A2
SCHEMBL5009196 0.77 ADORA1 (0.47) SMN1; SMN2KDM4ELMNARAB9AMAPT
SCHEMBL14037083 0.77 NPC1 (0.67) TSHRSMN1; SMN2HTTXDHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080292561-A1 Pyrazolo-Pyrimidine Derivatives as Anti-Inflammatory Agents GLAXO GROUP LIMITED 2008-11-27 US disclosed
US-20080292561-A1 Pyrazolo-Pyrimidine Derivatives as Anti-Inflammatory Agents GLAXO GROUP LIMITED 2008-11-27 US disclosed
US-20080292561-A1 Pyrazolo-Pyrimidine Derivatives as Anti-Inflammatory Agents GLAXO GROUP LIMITED 2008-11-27 US disclosed
WO-2007054294-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2007-05-18 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 (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-20080292561-A1 Pyrazolo-Pyrimidine Derivatives as Anti-Inflammatory Agents NOD1, FPR3, FPR1 TSHR 3047/4885SMN1; SMN2 3907/4885HTT 4625/4885

“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.