SCHEMBL14555321

SCHEMBL14555321

Cc1c[nH]c2ccc(C(F)F)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ HTR1D P28221 6/20 0.44
▸ HTR1B P28222 4/20 0.42
▸ KIF11 P52732 1/20 0.40
▸ HTR2A P28223 5/20 0.38
▸ HTR2C P28335 2/20 0.37
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GPR84 Q9NQS5 2/20 0.33
▸ FFAR1 O14842 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
SCHEMBL14827779 0.87 HTR1D (0.57) ATMHTR1DHTR1BKIF11HTR2A
SCHEMBL20077509 0.81 HTR1D (0.44) ATMHTR1DHTR1BHTR2AHTR2C
SCHEMBL14555351 0.80 HTR1D (0.46) HTR1DHTR1BKIF11HTR2AHTR2C
SCHEMBL18713928 0.79 ATM (0.44) ATMHTR1DHTR1BHTR2APIM1
SCHEMBL23612239 0.78 HTR1D (0.44) HTR1DHTR1BKIF11HTR2AHTR2C
SCHEMBL17066884 0.77 HTR1D (0.55) HTR1DHTR1BHTR2AHTR2CHTR1A
Hydrochloric Acid SCHEMBL29988859 0.76 HTR1D (0.43) HTR1DHTR1BKIF11HTR2AHTR2C
Hydrochloric Acid SCHEMBL23612170 0.76 HTR1D (0.43) HTR1DHTR1BKIF11HTR2AHTR2C
Hydrochloric Acid SCHEMBL23612169 0.75 HTR1D (0.42) HTR1DHTR1BKIF11HTR2AHTR2C
SCHEMBL325102 0.75 GPR84 (0.58) ATMHTR2AHTR2CHTR1AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 — — EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — US disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — 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 (4 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN ATM 4697/4885HTR1D 4753/4885HTR1B 4456/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN ATM 4697/4885HTR1D 4753/4885HTR1B 4456/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ATM 4697/4885HTR1D 4753/4885HTR1B 4456/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ATM 4697/4885HTR1D 4753/4885HTR1B 4456/4885

“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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