SCHEMBL30004255

SCHEMBL30004255

CCOC(=O)c1cnc(-c2cnn(C)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
JMJD6 Q6NYC1 4/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39

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
SCHEMBL16651104 0.82 ALDH1A1 (0.50) PIK3CDCYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL11130663 0.82 MKNK1 (0.53) CYP2C9SMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL358469 0.81 CYP2C9 (0.47) JMJD6CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL24007823 0.79 CLK2 (0.50) PIK3CDJMJD6SMN1; SMN2ALDH1A1MAPT
SCHEMBL30274525 0.79 CLK2 (0.50) PIK3CDJMJD6SMN1; SMN2ALDH1A1MAPT
SCHEMBL16715351 0.77 ALDH1A1 (0.45) PIK3CDCYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL8546622 0.75 ALDH1A1 (0.65) CYP2C9CYP2C19SMN1; SMN2ALDH1A1MAPT
SCHEMBL24492672 0.75 ABL1 (0.57) JMJD6ALDH1A1MAPK1CA12CA1
SCHEMBL18039472 0.74 PIK3CD (0.44) PIK3CDSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL16651065 0.74 ALDH1A1 (0.45) PIK3CDCYP2C9CYP2C19SMN1; SMN2ALDH1A1

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-11980609-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-05-14 US disclosed
EP-4337641-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2024-03-20 EP disclosed
US-20220411405-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2022-12-29 US disclosed
WO-2022240879-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2022-11-17 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 (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-11980609-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 PIK3CD 474/4885JMJD6 1372/4885CYP2C9 4137/4885
US-20220411405-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 PIK3CD 474/4885JMJD6 1372/4885CYP2C9 4137/4885

“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.