SCHEMBL21988650

SCHEMBL21988650

COc1ccc(COc2cc3ncc(F)cc3nc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CSF1R P07333 9/20 0.47
NTRK1 P04629 2/20 0.47
NTRK2 Q16620 2/20 0.47
NTRK3 Q16288 1/20 0.47
KIT P10721 1/20 0.44
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
MAP4K3 Q8IVH8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 3/20 0.40

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
SCHEMBL21988922 0.81 NPC1 (0.53) NPC1RAB9ACSF1RNTRK1NTRK2
SCHEMBL21988883 0.80 NPC1 (0.51) NPC1RAB9ACSF1RNTRK1NTRK2
SCHEMBL21988774 0.80 NPC1 (0.65) NPC1RAB9ACSF1RNTRK1NTRK2
SCHEMBL22045233 0.77 NPC1 (0.50) NPC1RAB9ACSF1RNTRK1NTRK2
SCHEMBL21989002 0.77 NPC1 (0.50) NPC1RAB9ACSF1RNTRK1NTRK2
SCHEMBL21988876 0.76 NPC1 (0.47) NPC1RAB9ACSF1RNTRK1NTRK2
SCHEMBL21988985 0.76 NPC1 (0.47) NPC1RAB9ACSF1RNTRK1NTRK2
SCHEMBL21988703 0.74 NPC1 (0.50) NPC1RAB9ACSF1RNTRK1NTRK2
SCHEMBL21989018 0.72 NPC1 (0.51) NPC1RAB9ACSF1RNTRK1NTRK2
SCHEMBL23041150 0.72 NPC1 (0.64) NPC1RAB9ACSF1RNTRK1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12103921-B2 Chemical compounds PFIZER INC. (US) 2024-10-01 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-20220348555-A1 Chemical Compounds PFIZER INC. (US) 2022-11-03 US disclosed
EP-3886984-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN Pfizer Inc. (US) 2021-10-06 EP disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 US disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 US disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 US disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 US disclosed
WO-2020109994-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN PFIZER INC. (US) 2020-06-04 WO disclosed
WO-2020109994-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN PFIZER INC. (US) 2020-06-04 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 (6 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-20200172512-A1 Chemical Compounds HBZ, HBB, HBS1L NPC1 2812/4885RAB9A 1684/4885CSF1R 2914/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L NPC1 2812/4885RAB9A 1684/4885CSF1R 2914/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L NPC1 2812/4885RAB9A 1684/4885CSF1R 2914/4885
US-12103921-B2 Chemical compounds HBZ, HBB, HBS1L NPC1 2812/4885RAB9A 1684/4885CSF1R 2914/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L NPC1 2812/4885RAB9A 1684/4885CSF1R 2914/4885
US-20220348555-A1 Chemical Compounds HBZ, HBB, HBS1L NPC1 2812/4885RAB9A 1684/4885CSF1R 2914/4885

“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.