SCHEMBL20680447

SCHEMBL20680447

CC1(C)CNc2ccc(C(F)(F)F)nc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.35
ADRB1 P08588 1/20 0.33
OTUD7B Q6GQQ9 1/20 0.32
BRS3 P32247 8/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
IDH1 O75874 1/20 0.31
NR1I2 O75469 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
SCHEMBL24996436 0.77
SCHEMBL30763482 0.77
SCHEMBL1396407 0.76 KIF11 (0.38)
SCHEMBL16441811 0.75
SCHEMBL20680846 0.75 CCR1 (0.32)
SCHEMBL24251691 0.74
SCHEMBL16441682 0.74
SCHEMBL20680771 0.71 KMT2A (0.36) HTR2AHTR2CHTR2B
SCHEMBL29388981 0.71 KMT2A (0.36) HTR2AHTR2CHTR2B
SCHEMBL24251688 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-03 US disclosed
CN-115836064-B Triazine derivative with EGFR (epidermal growth factor receptor) inhibition activity as well as preparation method and application thereof 上海和誉生物医药科技有限公司 2024-08-27 CN disclosed
EP-4382511-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 EP disclosed
US-20240174671-A1 New 2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine Derivatives as Sigma Ligands ACONDICIONAMIENTO TARRASENSE (ES) 2024-05-30 US disclosed
CN-117440945-A Pyrimidine or pyridine derivative, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-01-23 CN disclosed
CN-115836064-A Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-21 CN disclosed
WO-2023011505-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY 上海和誉生物医药科技有限公司 2023-02-09 WO disclosed
WO-2023011505-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY 上海和誉生物医药科技有限公司 2023-02-09 WO disclosed
WO-2022116995-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-06-09 WO disclosed
WO-2022033455-A1 TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 WO disclosed
WO-2022033455-A1 TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 WO disclosed
US-20200207759-A1 NEW PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A (ES) 2020-07-02 US disclosed
US-20200207759-A1 NEW PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A (ES) 2020-07-02 US disclosed
EP-3658550-A1 NEW PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-03 EP disclosed
WO-2019020792-A1 NEW PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-31 WO disclosed
WO-2019020792-A1 NEW PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-31 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 (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-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY WEE1, WEE2, EGFR AR 2653/4885ADRB1 4049/4885OTUD7B 3347/4885
US-20240174671-A1 New 2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine Derivatives as Sigma Ligands SIGMAR1, OPRD1, TMEM97 AR 1865/4885ADRB1 11/4885OTUD7B 4287/4885
US-20200207759-A1 NEW PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, CACNA1G, ADRB2 AR 3111/4885ADRB1 29/4885OTUD7B 4464/4885

“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.