SCHEMBL2040397

SCHEMBL2040397

O=C(c1c[nH]c2ccccc12)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 1.00
GPR84 Q9NQS5 1/20 0.65
PIM3 Q86V86 1/20 0.64
ALDH1A1 P00352 2/20 0.61
PBRM1 Q86U86 1/20 0.61
ATM Q13315 1/20 0.61
CTNNB1 P35222 2/20 0.56
WNT3A P56704 2/20 0.56
NR4A2 P43354 2/20 0.56
CREBBP Q92793 1/20 0.56
AHR P35869 1/20 0.55
KMT2A Q03164 3/20 0.53
ADAM17 P78536 1/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
PIM1 P11309 1/20 0.50
IGF1R P08069 1/20 0.50
MET P08581 1/20 0.50
SRC P12931 1/20 0.50

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
SCHEMBL2828218 0.86 MAPK1 (0.76) MAPK1GPR84PIM3ALDH1A1PBRM1
SCHEMBL2005017 0.86 MAPK1 (0.74) MAPK1GPR84PIM3ALDH1A1PBRM1
SCHEMBL28059877 0.85 MAPK1 (0.74) MAPK1GPR84ALDH1A1PBRM1ATM
Trifluoroacetic Acid SCHEMBL17895843 0.84 MAPK1 (0.73) MAPK1GPR84ALDH1A1PBRM1ATM
SCHEMBL1607435 0.82 MAPK1 (0.70) MAPK1GPR84ALDH1A1PBRM1ATM
SCHEMBL13543217 0.82 MAPK1 (0.70) MAPK1GPR84ALDH1A1PBRM1ATM
SCHEMBL31530832 0.81 MAPK1 (0.68) MAPK1GPR84ALDH1A1PBRM1ATM
Trifluoroacetic Acid SCHEMBL28105351 0.80 ALDH1A1 (0.78) MAPK1GPR84PIM3ALDH1A1PBRM1
SCHEMBL27943863 0.79 GPR84 (0.71) MAPK1GPR84ALDH1A1PBRM1ATM
SCHEMBL7048104 0.79 MAPK1 (0.65) MAPK1GPR84ALDH1A1PBRM1ATM

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 140 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574048-A Bromination reaction method of remote indole C-H bond by using sunlight catalysis 陕西科技大学 2023-08-11 CN claimed
CN-111825594-B (Z) -beta-trifluoromethyl dehydrotryptophan compound and synthetic method and application thereof 商丘师范学院 2022-03-29 CN claimed
CN-111825594-A (Z) -beta-trifluoromethyl dehydrotryptophan compound and synthetic method and application thereof 商丘师范学院 2020-10-27 CN claimed
CN-106946758-B A kind of synthetic method of 3- (trifluoroacetyl) indole derivatives 丽水学院 2019-11-19 CN claimed
CN-106946758-A A kind of synthetic method of 3 (trifluoroacetyl) indole derivativeses 丽水学院 2017-07-14 CN claimed
US-20150164860-A1 ANTICANCER TREATMENT METHODS INVOLVING ANALOGS AND DERIVATIVES OF 3-(2-SUBSTITUTED-ETHYL) INDOLE COMPOUNDS TUSKEGEE UNIVERSITY (US) 2015-06-18 US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
US-12485109-B2 Pyrrolo 12.3-dipyrimidine compounds and analogues thereof BIOCRYST PHARMACEUTICALS, INC. (US) 2025-12-02 US disclosed
US-20250236590-A1 A METHOD FOR THE PREPARATION OF INDOLE-3-CARBOXYLIC ACID DERIVATIVES DEB INDUBHUSAN 2025-07-24 US disclosed
EP-4419503-A1 A METHOD FOR THE PREPARATION OF INDOLE-3-CARBOXYLIC ACID DERIVATIVES Council of Scientific and Industrial Research, an Indian Registered Body Incorporated under Regn. of Soc. Act (Act XXI of 1860) (IN) 2024-08-28 EP disclosed
CN-118265698-A Process for preparing indole-3-carboxylic acid derivatives 科学与工业研究会(按照印度社会团体注册法案(1860年第21号法案)设立的注册机构) 2024-06-28 CN disclosed
EP-3925956-B1 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2024-04-10 EP disclosed
CN-117603120-A Preparation method and application of indole-3-fluoroketone compound 平顶山学院 2024-02-27 CN disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 EP disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
CN-1078469-A Substituted indole, the assorted indoles of ammonia and tetrahydro-1 H-pyrrolo be [2,3-c] pyridin-7-one derivatives also SYTEX A INC (US) 1993-11-17 CN disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed
US-4966913-A FOR FALL ARMYWORM AND EUROPEAN CORN BORER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1990-10-30 US disclosed
US-4942247-A SULFIDE DERIVATIVES OF NITRILES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1990-07-17 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-12485109-B2 Pyrrolo 12.3-dipyrimidine compounds and analogues thereof C5, DPYD, C9 MAPK1 2178/4885GPR84 4602/4885PIM3 3051/4885
US-20250236590-A1 A METHOD FOR THE PREPARATION OF INDOLE-3-CARBOXYLIC ACID DERIVATIVES IDO1, INMT, IDO2 MAPK1 3508/4885GPR84 3010/4885PIM3 250/4885
US-20150164860-A1 ANTICANCER TREATMENT METHODS INVOLVING ANALOGS AND DERIVATIVES OF 3-(2-SUBSTITUTED-ETHYL) INDOLE COMPOUNDS MCL1, BAD, API5 MAPK1 3641/4885GPR84 3979/4885PIM3 805/4885

“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.