SCHEMBL6768059

SCHEMBL6768059

Cc1ccc(C2=NNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
NISCH Q9Y2I1 4/20 0.41
MAOB P27338 3/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HK1 P19367 1/20 0.38
CYP2C19 P33261 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HTR1D P28221 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR1E P28566 2/20 0.38

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
SCHEMBL13978577 0.89 TEAD4 (0.40) KDRNISCHMAOBMAPTALDH1A1
SCHEMBL3325615 0.79 QDPR (0.41) MAOBMAPTALDH1A1HPGDNPC1
SCHEMBL6771534 0.79 HTR2A (0.38) MAOBMAPTALDH1A1NPC1RAB9A
SCHEMBL554697 0.79 KDR (0.43) KDRMAPTALDH1A1NPC1RAB9A
SCHEMBL6773687 0.79 NISCH (0.46) NISCHMAOBMAPTALDH1A1HPGD
SCHEMBL972816 0.78 SMN1; SMN2 (0.52) KDRNISCHMAPTALDH1A1HPGD
SCHEMBL6779266 0.77 CHRNB4 (0.51) KDRNISCHMAOBALDH1A1HPGD
SCHEMBL3328416 0.76 FGFR1 (0.43) CYP3A4CYP2D6CYP2C19
SCHEMBL17838640 0.75 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL13770015 0.75 NISCH (0.46) KDRNISCHHTR2AHTR2CHTR2B

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
CN-113214240-B N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof 杭州维坦医药科技有限公司 2022-12-06 CN disclosed
US-6831083-B2 For therapy and prophylaxis of cerebral ischemia (cerebral infarct and brain edema), sequela of cerebral ischemia, cephalotrauma, glaucoma, retinopathy, epilepsy and amyotrophic lateral sclerosis (ALS), all caused by glutamic acid toxicity MITSUI CHEMICALS, INC. (JP) 2004-12-14 US disclosed
US-20030149046-A1 Pyrazoline derivative or tetrahydropyridazine derivative and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-08-07 US disclosed
EP-1270567-A1 PYRAZOLINE DERIVATIVES OR TETRAHYDROPYRIDAZINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2003-01-02 EP disclosed
EP-0035792-B1 CERTAIN 1-(3,5-DICHLOROBENZOYL)-3-PHENYLPYRAZOLINES AND THEIR USE AS MILDEWICIDES STAUFFER CHEMICAL COMPANY (US) 1984-06-13 EP disclosed
EP-0035792-A2 Certain 1-(3,5-dichlorobenzoyl)-3-phenylpyrazolines and their use as mildewicides STAUFFER CHEMICAL COMPANY (US) 1981-09-16 EP disclosed
US-4250185-A 1-(3,5-Dichlorobenzoyl)-3-phenylpyrazolines and their use as mildewicides STAUFFER CHEMICAL COMPANY (US) 1981-02-10 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 (1 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-20030149046-A1 Pyrazoline derivative or tetrahydropyridazine derivative and medicinal use thereof SLC1A2, SLC1A1, SLC1A3 KDR 606/4885NISCH 2605/4885MAOB 3082/4885

“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.