SCHEMBL21484348

SCHEMBL21484348

NCC#CCc1cccc(Oc2ncnc3[nH]c(-c4ccc(CN5CCC(F)(F)CC5)cc4)cc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.42
KDR P35968 4/20 0.41
EGFR P00533 3/20 0.41
ERBB2 P04626 2/20 0.41
STK10 O94804 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
YES1 P07947 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
BCR P11274 1/20 0.41
FLT1 P17948 1/20 0.41
ERBB3 P21860 1/20 0.41
WEE1 P30291 1/20 0.41
ABL2 P42684 1/20 0.41
NEK3 P51956 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
EPHB4 P54760 1/20 0.41
ACVR1 Q04771 1/20 0.41

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
SCHEMBL29538433 1.00 CSF1R (0.42) CSF1RKDREGFRERBB2STK10
SCHEMBL29538813 0.90 CSF1R (0.44) CSF1RKDREGFRERBB2STK10
SCHEMBL21484347 0.90 KDR (0.40) CSF1RKDREGFRERBB2STK10
SCHEMBL23049191 0.81 KIT (0.47) CSF1RKDREGFRERBB2STK10
SCHEMBL23035014 0.80 PRMT5 (0.51) EIF2AK2GSK3BPRMT5KIT
SCHEMBL29538307 0.80 PRMT5 (0.51) EIF2AK2GSK3BPRMT5KIT
SCHEMBL21515876 0.79 KIT (0.42) CSF1RKDREGFRERBB2STK10
SCHEMBL21484330 0.79 EGFR (0.47) CSF1RKDREGFRERBB2EIF2AK2
SCHEMBL30294159 0.79 EGFR (0.47) CSF1RKDREGFRERBB2EIF2AK2
SCHEMBL28685940 0.73 CSF1R (0.43) CSF1RKDREGFRERBB2STK10

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
EP-3556761-B1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RES AND DEVELOPMENT NIP (CN) 2021-03-03 EP claimed
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RESEARCH AND DEVELOPMENT (NIP) (CN) 2020-02-27 US claimed
EP-3556761-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF The National Institutes Of Pharmaceutical Research (CN) 2019-10-23 EP claimed
US-11608334-B2 Pyrrolo-aromatic heterocyclic compound, preparation method therefor, and medical use thereof The National Institutes of Pharmaceutical R&D Co., Ltd. (CN) 2023-03-21 US disclosed
EP-3556761-B1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RES AND DEVELOPMENT NIP (CN) 2021-03-03 EP disclosed
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RESEARCH AND DEVELOPMENT (NIP) (CN) 2020-02-27 US disclosed
EP-3556761-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF The National Institutes Of Pharmaceutical Research (CN) 2019-10-23 EP 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-11608334-B2 Pyrrolo-aromatic heterocyclic compound, preparation method therefor, and medical use thereof BTK, SYK, ITK CSF1R 1471/4885KDR 1276/4885EGFR 1705/4885
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF BTK, SYK, ITK CSF1R 1471/4885KDR 1276/4885EGFR 1705/4885

“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.