SCHEMBL16606160

SCHEMBL16606160

Cc1cccc(-c2ccc(CBr)c(F)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 10/20 0.45
▸ CCR1 P32246 1/20 0.44
▸ CCR8 P51685 1/20 0.44
▸ CYP2A6 P11509 1/20 0.41
▸ THRB P10828 1/20 0.39
▸ CYP2D6 P10635 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37

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
Bromide SCHEMBL16593370 0.98 TGFBR1 (0.44) TGFBR1CCR1CCR8CYP2A6THRB
Bicarbonate SCHEMBL28180774 0.93 TGFBR1 (0.41) TGFBR1CCR1CCR8CYP2A6THRB
SCHEMBL16593187 0.85 TGFBR1 (0.45) TGFBR1CCR1CCR8CYP2A6THRB
SCHEMBL2615814 0.80 TGFBR1 (0.62) TGFBR1CCR1CCR8CYP2A6THRB
SCHEMBL10268449 0.79 CCR1 (0.52) TGFBR1CCR1CCR8CYP2A6THRB
SCHEMBL16606146 0.77 TGFBR1 (0.46) TGFBR1CCR1CCR8CYP2A6THRB
SCHEMBL16385295 0.76 HSD17B14 (0.53) TGFBR1CCR1CCR8CYP2A6CYP2D6
SCHEMBL2615821 0.76 CCR1 (0.48) TGFBR1CCR1CCR8CYP2A6THRB
SCHEMBL20198110 0.76 CHKA (0.42) TGFBR1THRBNPC1
SCHEMBL2615816 0.76 MEN1 (0.57) TGFBR1CCR1CCR8CYP2A6THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 — — EP disclosed
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 — — EP disclosed
US-20180208593-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-07-26 — — US disclosed
US-9926312-B2 4-azaindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-03-27 — — US disclosed
CN-105873927-B 4-azaindole derivatives 卫材R&D管理有限公司 2017-11-28 — — CN disclosed
US-20160244445-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-25 — — US disclosed
US-20160244445-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-25 — — US disclosed
CN-105873927-A 4-azaindole derivatives 卫材R&D管理有限公司 2016-08-17 — — CN disclosed
WO-2015049574-A1 4-AZAINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-09 — — WO disclosed
US-20150094328-A1 4-Azaindole Derivatives EISAI R&D MAN CO LTD (JP) 2015-04-02 — — US disclosed
US-20150094328-A1 4-Azaindole Derivatives EISAI R&D MAN CO LTD (JP) 2015-04-02 — — 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-20160244445-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 TGFBR1 1147/4885CCR1 3939/4885CCR8 4103/4885
US-20180208593-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 TGFBR1 1147/4885CCR1 3939/4885CCR8 4103/4885
US-20150094328-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 TGFBR1 1147/4885CCR1 3939/4885CCR8 4103/4885

“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.

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