SCHEMBL462939

SCHEMBL462939

Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
BTK Q06187 1/20 0.36
LPL P06858 9/20 0.34
LIPG Q9Y5X9 9/20 0.34
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
EGFR P00533 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
P2RX7 Q99572 1/20 0.31
HIF1A Q16665 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30

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
SCHEMBL28768446 0.84 LPL (0.33) JAK2BTKLPLLIPGALDH1A1
SCHEMBL15071862 0.83 TSHR (0.39) JAK2BTKLPLLIPGALDH1A1
SCHEMBL16688104 0.81 LPL (0.46) LPLLIPGEGFR
SCHEMBL7162437 0.81 LPL (0.38) LPLLIPGALDH1A1KDM4ELMNA
SCHEMBL29424563 0.81 LPL (0.38) LPLLIPGALDH1A1KDM4ELMNA
SCHEMBL3743903 0.80 LPL (0.47) JAK2BTKLPLLIPGEGFR
SCHEMBL29498572 0.80 CYP3A4 (0.42) JAK2BTKLPLLIPGALDH1A1
SCHEMBL1284567 0.80 CYP3A4 (0.42) JAK2BTKLPLLIPGALDH1A1
SCHEMBL29352199 0.80 HSD17B10 (0.42) JAK2BTKLPLLIPG
SCHEMBL10269959 0.80 HSD17B10 (0.42) JAK2BTKLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS JAK2 2822/4885BTK 867/4885LPL 3893/4885
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 JAK2 191/4885BTK 754/4885LPL 4563/4885

“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.