SCHEMBL13601912

SCHEMBL13601912

CCCCCCCCC(C#N)CCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
DNM1 Q05193 2/20 0.43
OPRM1 P35372 1/20 0.42
GPR84 Q9NQS5 3/20 0.39
FDPS P14324 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 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
SCHEMBL14848213 1.00 TSHR (0.46) TSHRTHRBLMNADNM1OPRM1
SCHEMBL8297041 1.00 TSHR (0.46) TSHRTHRBLMNADNM1OPRM1
SCHEMBL15211724 1.00 TSHR (0.46) TSHRTHRBLMNADNM1OPRM1
SCHEMBL366647 1.00 TSHR (0.46) TSHRTHRBLMNADNM1OPRM1
SCHEMBL13475536 1.00 TSHR (0.46) TSHRTHRBLMNADNM1OPRM1
SCHEMBL24044418 1.00 TSHR (0.46) TSHRTHRBLMNADNM1OPRM1
SCHEMBL12844942 1.00 TSHR (0.46) TSHRTHRBLMNADNM1OPRM1
SCHEMBL985792 1.00 TSHR (0.46) TSHRTHRBLMNADNM1OPRM1
SCHEMBL4745188 1.00 TSHR (0.46) TSHRTHRBLMNADNM1OPRM1
SCHEMBL19867080 1.00 TSHR (0.46) TSHRTHRBLMNADNM1OPRM1

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-11142525-B2 Azalactam compounds as HPK1 inhibitors PFIZER INC. (US) 2021-10-12 US disclosed
US-20200172539-A1 Azalactam Compounds as HPK1 Inhibitors PFIZER INC. (US) 2020-06-04 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 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 (3 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-20200172539-A1 Azalactam Compounds as HPK1 Inhibitors CDKN1A, HIPK1, CMPK1 TSHR 2061/4885THRB 3457/4885LMNA 3449/4885
US-11142525-B2 Azalactam compounds as HPK1 inhibitors CDKN1A, HIPK1, CMPK1 TSHR 2061/4885THRB 3457/4885LMNA 3449/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 TSHR 4172/4885THRB 3897/4885LMNA 4270/4885

“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.