SCHEMBL20176820

SCHEMBL20176820

O=c1ccn(-c2ccc(Br)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DGAT1 O75907 1/20 0.38
CCR1 P32246 5/20 0.36
CCR2 P41597 5/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAP2K1 Q02750 2/20 0.33
MAP2K2 P36507 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
SCHEMBL18036128 0.82 NPC1 (0.50) NPC1TSHRMEN1KMT2AATM
SCHEMBL8291602 0.72 CA12 (0.36) KMT2AALDH1A1
SCHEMBL27187357 0.69 CRBN (0.42) NPC1TSHRMEN1KMT2AATM
SCHEMBL27422291 0.69 ALOX15 (0.48) TSHRDGAT1CCR1CCR2RXFP1
SCHEMBL8296947 0.69 GRIA1 (0.49) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL30116166 0.68 ALDH1A1 (0.59) TSHRMEN1KMT2ACCR1CCR2
SCHEMBL27380693 0.68 NPC1 (0.35) NPC1TSHRMEN1KMT2AATM
SCHEMBL17543490 0.68 ALDH1A1 (0.59) TSHRMEN1KMT2ACCR1CCR2
SCHEMBL20176617 0.67 KMT2A (0.53) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL29348942 0.67 KDM4E (0.38) NPC1TSHRMEN1KMT2AATM

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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 NPC1 1786/4885TSHR 238/4885MEN1 3821/4885

“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.