SCHEMBL21395718

SCHEMBL21395718

COc1cc2sc(Br)nc2c(OC)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
STING1 Q86WV6 4/20 0.34
TUBB4A P04350 3/20 0.33
TUBB P07437 3/20 0.33
TUBA3C P0DPH7 3/20 0.33
TUBA1B P68363 3/20 0.33
TUBA4A P68366 3/20 0.33
TUBB4B P68371 3/20 0.33
TUBB3 Q13509 3/20 0.33
TUBB2A Q13885 3/20 0.33
TUBB8 Q3ZCM7 3/20 0.33
TUBA3E Q6PEY2 3/20 0.33
TUBA1A Q71U36 3/20 0.33
TUBA1C Q9BQE3 3/20 0.33
TUBB6 Q9BUF5 3/20 0.33
TUBB2B Q9BVA1 3/20 0.33
TUBB1 Q9H4B7 3/20 0.33
HDAC3 O15379 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
SCHEMBL19782409 0.87 ALDH1A1 (0.39) MAPTTSHRSMN1; SMN2STING1HDAC3
SCHEMBL21395887 0.85 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1
SCHEMBL19782756 0.84 MAPT (0.38) MAPTTSHRSMN1; SMN2STING1HDAC3
SCHEMBL19783064 0.83 ALDH1A1 (0.36) MAPTTSHRSMN1; SMN2STING1SCD
SCHEMBL19782658 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL21395696 0.83 ALDH1A1 (0.50) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL19783068 0.78 MAPT (0.41) MAPTTSHRSTING1TUBB4ATUBB
SCHEMBL21395888 0.77 PDE2A (0.39) MAPTTSHRSMN1; SMN2KDM4EMEN1
SCHEMBL19782620 0.71 F2RL3 (0.45) MAPTSMN1; SMN2KDM4EMEN1GAA
SCHEMBL19782781 0.71 MAPT (0.38) MAPTTSHRSTING1HDAC3HDAC4

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
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 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 (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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 MAPT 1432/4885TSHR 1832/4885SMN1; SMN2 3677/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 MAPT 1155/4885TSHR 1191/4885SMN1; SMN2 3957/4885

“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.