SCHEMBL6498648

SCHEMBL6498648

CCc1cc2nc(C(C)CCC(=O)O)cc(-c3ccc(Cl)cc3Cl)n2n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 2/20 0.38
SHMT2 P34897 2/20 0.38
MARS1 P56192 3/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.34
PPARG P37231 1/20 0.34
DPP4 P27487 3/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 1/20 0.33
CNR1 P21554 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL6494874 0.90 L3MBTL1 (0.35) SHMT1SHMT2MARS1NPC1DPP4
SCHEMBL6498656 0.71 NPC1 (0.44) MARS1NPC1
SCHEMBL6070738 0.68 CRHR1 (0.45) NPC1DPP4
SCHEMBL1943591 0.65 EGLN2 (0.49) MARS1NPC1HTT
SCHEMBL14014232 0.63 KDM4E (0.53) MARS1NPC1
SCHEMBL6500995 0.61 CRHR1 (0.41)
SCHEMBL7423913 0.61 SHMT1 (0.58) SHMT1SHMT2NPC1SMN1; SMN2CYP2C9
SCHEMBL14014193 0.60 KDM4E (0.60) MARS1SMN1; SMN2
SCHEMBL14014214 0.60 KDM4E (0.59) MARS1
SCHEMBL14014255 0.60 KDM4E (0.69) MARS1HTTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958341-B2 Pyrazolopyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US claimed
US-6958341-B2 Pyrazolopyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed
US-20030139426-A1 Pyrazolopyrimidines as CRF antagonists WILDE RICHARD G (US) 2003-07-24 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-20030139426-A1 Pyrazolopyrimidines as CRF antagonists CRHR1, CRHR2, CRH SHMT1 3970/4885SHMT2 4056/4885MARS1 1239/4885

“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.